2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide

C12H11F2N3O2 — CID 46236894

IUPAC2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide
SMILESNC(=O)c1c(F)ccc(OCCn2cccn2)c1F
InChIInChI=1S/C12H11F2N3O2/c13-8-2-3-9(11(14)10(8)12(15)18)19-7-6-17-5-1-4-16-17/h1-5H,6-7H2,(H2,15,18)
InChIKeyXOORHNDUDZACHC-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.34
Rot. Bonds5

About 2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide

2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide (PubChem CID 46236894) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide
PubChem CID46236894
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide
SMILESNC(=O)c1c(F)ccc(OCCn2cccn2)c1F
InChIInChI=1S/C12H11F2N3O2/c13-8-2-3-9(11(14)10(8)12(15)18)19-7-6-17-5-1-4-16-17/h1-5H,6-7H2,(H2,15,18)
InChIKeyXOORHNDUDZACHC-UHFFFAOYSA-N
XLogP1.34
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide?
The IUPAC name of 2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide (CID 46236894) is 2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide.
What is the SMILES notation for 2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide?
The canonical SMILES for 2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide is NC(=O)c1c(F)ccc(OCCn2cccn2)c1F.
What is the InChIKey of 2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide?
The InChIKey is XOORHNDUDZACHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c13-8-2-3-9(11(14)10(8)12(15)18)19-7-6-17-5-1-4-16-17/h1-5H,6-7H2,(H2,15,18).
What are the key properties of 2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide?
2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide has a molecular weight of 267.24 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(2-pyrazol-1-ylethoxy)benzamide is sourced from PubChem (CID 46236894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).